N-butyl-N-propan-2-ylformamide

C8H17NO — CID 547377

IUPACN-butyl-N-propan-2-ylformamide
SMILESCCCCN(C=O)C(C)C
InChIInChI=1S/C8H17NO/c1-4-5-6-9(7-10)8(2)3/h7-8H,4-6H2,1-3H3
InChIKeyXVACMSCLAZPTCV-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.65
Rot. Bonds5

About N-butyl-N-propan-2-ylformamide

N-butyl-N-propan-2-ylformamide (PubChem CID 547377) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-butyl-N-propan-2-ylformamide.

Molecular Properties

Compound NameN-butyl-N-propan-2-ylformamide
PubChem CID547377
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-butyl-N-propan-2-ylformamide
SMILESCCCCN(C=O)C(C)C
InChIInChI=1S/C8H17NO/c1-4-5-6-9(7-10)8(2)3/h7-8H,4-6H2,1-3H3
InChIKeyXVACMSCLAZPTCV-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-propan-2-ylformamide?
The IUPAC name of N-butyl-N-propan-2-ylformamide (CID 547377) is N-butyl-N-propan-2-ylformamide.
What is the SMILES notation for N-butyl-N-propan-2-ylformamide?
The canonical SMILES for N-butyl-N-propan-2-ylformamide is CCCCN(C=O)C(C)C.
What is the InChIKey of N-butyl-N-propan-2-ylformamide?
The InChIKey is XVACMSCLAZPTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-5-6-9(7-10)8(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of N-butyl-N-propan-2-ylformamide?
N-butyl-N-propan-2-ylformamide has a molecular weight of 143.23 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-propan-2-ylformamide is sourced from PubChem (CID 547377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).